SCHEMBL2645302

SCHEMBL2645302

CSc1ccc(C(CC2CCCC2)C(=O)N(C)C(C)C(O)c2ccccc2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPY5R Q15761 9/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY2R P49146 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2645303 1.00 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1863388 0.98 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1863386 0.98 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1863390 0.98 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL2644230 0.90 GAA (0.39) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL2644229 0.90 GAA (0.39) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1858505 0.88 GAA (0.39) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1858509 0.88 GAA (0.39) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL1858506 0.88 GAA (0.39) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL2645970 0.87 GAA (0.38) GAANPY5RPSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 GAA 59/4885NPY5R 1891/4885PSEN1 3860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.